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9-(1-cyclopropylbutyl)-8-ethyl-6-[4-methoxy-2-(trifluoromethyl)phenyl]purine

9-(1-cyclopropylbutyl)-8-ethyl-6-[4-methoxy-2-(trifluoromethyl)phenyl]purine

Systemtic Name:9-(1-cyclopropylbutyl)-8-ethyl-6-[4-methoxy-2-(trifluoromethyl)phenyl]purine
Openeye Name:9-(1-cyclopropylbutyl)-8-ethyl-6-[4-methoxy-2-(trifluoromethyl)phenyl]purine
CAS Name:9-(1-cyclopropylbutyl)-8-ethyl-6-[4-methoxy-2-(trifluoromethyl)phenyl]purine
IUPAC Name:9-(1-cyclopropylbutyl)-8-ethyl-6-[4-methoxy-2-(trifluoromethyl)phenyl]purine
Traditional Name:9-(1-cyclopropylbutyl)-8-ethyl-6-[4-methoxy-2-(trifluoromethyl)phenyl]purine
Formula: C22H25F3N4O
MolecularWeight: 418.45531
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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1CC1)N2C(=NC3=C(N=CN=C32)C4=C(C=C(C=C4)OC)C(F)(F)F)CC


Isomeric SMILES

CCCC(C1CC1)N2C(=NC3=C(N=CN=C32)C4=C(C=C(C=C4)OC)C(F)(F)F)CC


InChI

InChI=1S/C22H25F3N4O/c1-4-6-17(13-7-8-13)29-18(5-2)28-20-19(26-12-27-21(20)29)15-10-9-14(30-3)11-16(15)22(23,24)25/h9-13,17H,4-8H2,1-3H3


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